tert-butyl-dimethyl-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]silane

C16H25F3OSi — CID 59440862

IUPACtert-butyl-dimethyl-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]silane
SMILESCC(C)(c1ccc(O[Si](C)(C)C(C)(C)C)cc1)C(F)(F)F
InChIInChI=1S/C16H25F3OSi/c1-14(2,3)21(6,7)20-13-10-8-12(9-11-13)15(4,5)16(17,18)19/h8-11H,1-7H3
InChIKeyNGYMHKSSVIVKGM-UHFFFAOYSA-N
MW318.46 g/mol
LogP5.91
Rot. Bonds3

About tert-butyl-dimethyl-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]silane

tert-butyl-dimethyl-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]silane (PubChem CID 59440862) has the molecular formula C16H25F3OSi and a molecular weight of 318.46 g/mol. Its IUPAC name is tert-butyl-dimethyl-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]silane
PubChem CID59440862
Molecular FormulaC16H25F3OSi
Molecular Weight318.46 g/mol
Exact Mass318.16
IUPAC Nametert-butyl-dimethyl-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]silane
SMILESCC(C)(c1ccc(O[Si](C)(C)C(C)(C)C)cc1)C(F)(F)F
InChIInChI=1S/C16H25F3OSi/c1-14(2,3)21(6,7)20-13-10-8-12(9-11-13)15(4,5)16(17,18)19/h8-11H,1-7H3
InChIKeyNGYMHKSSVIVKGM-UHFFFAOYSA-N
XLogP5.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]silane (CID 59440862) is tert-butyl-dimethyl-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]silane is CC(C)(c1ccc(O[Si](C)(C)C(C)(C)C)cc1)C(F)(F)F.
What is the InChIKey of tert-butyl-dimethyl-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]silane?
The InChIKey is NGYMHKSSVIVKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3OSi/c1-14(2,3)21(6,7)20-13-10-8-12(9-11-13)15(4,5)16(17,18)19/h8-11H,1-7H3.
What are the key properties of tert-butyl-dimethyl-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]silane?
tert-butyl-dimethyl-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]silane has a molecular weight of 318.46 g/mol, XLogP of 5.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]silane is sourced from PubChem (CID 59440862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).